Effect of hydrogen on the microstructure evolution of nanocrystalline silicon

2010/11/11 by Giorgia Fugallo, Fugallo, Giorgia, Alessandro Mattoni +3
Physics and Astronomy · #FOS: Physical sciences #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #cond-mat.mes-hall

paper · pdf · doi:10.48550/arxiv.1011.2606

submitted for publication

arxiv created 2010/11/12 · arxiv updated 2010/11/15

Abstract

We investigated the effect of dissolved hydrogen on the microstructure evolution of nanocrystalline silicon. Through molecular dynamics simulations we characterize the local and overall structural features of several hydrogenated samples by the quantitative calculation of their crystallinity. We prove that hydrogen incorporation is detrimental for the recrystallization and accumulates at grain boundaries, thus increasing their effective area. We further observe the formation of silicon hydrogen complexes at very high hydrogen concentration.

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